Re: [gmx-users] Cut off (1.2 -1.5 nm) with OPLS forcefield

Hi, A general criteria is to apply the short and long range interaction setting used in the parametization procedure. Each force field has its own parameterization strategy. Among other that guarantees parameters consistency and results reproducibility. Another story is if you are performing your

[gmx-users] Cut off (1.2 -1.5 nm) with OPLS forcefield

Hello all, I am simulating a polymeric system using OPLS-AA forcefield. I can see a considerable change in density while changing the cut off from 1.2 to 1.5 nm cut off Density Experimental density 1.2895 kg/m3910-9